2-ethoxyethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C27H30N2O8S MolecularWeight: 542.6007

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OCC)O)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OCC)O)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CS4)C

InChI

InChI=1S/C27H30N2O8S/c1-4-35-8-9-37-27(32)23-15(3)28-18-11-16(22-7-6-10-38-22)13-20(30)25(18)24(23)17-12-19(29(33)34)26(31)21(14-17)36-5-2/h6-7,10,12,14,16,24,28,31H,4-5,8-9,11,13H2,1-3H3